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Substance Name: 1,3,5-Benzenetricarbonitrile, 2-(3-chloro-2-methylanilino)-4,6-dichloro-
RN: 35727-90-3
InChIKey: LIEQSVXPMNTMOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H7-Cl3-N4

Molecular Weight

  • 361.618
 
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Names and Synonyms

Synonyms

  • 2-(3-Chloro-2-methylanilino)-4,6-dichloro-1,3,5-benzenetricarbonitrile
  • 2-(3-Chloro-2-methylanilino)-4,6-dichlorotrimesonitrile
  • BRN 2784839

Systematic Name

  • 1,3,5-Benzenetricarbonitrile, 2-(3-chloro-2-methylanilino)-4,6-dichloro-

Registry Numbers

CAS Registry Number

  • 35727-90-3

System Generated Number

  • 0035727903

Structure Descriptors

InChI

1S/C16H7Cl3N4/c1-8-12(17)3-2-4-13(8)23-16-10(6-21)14(18)9(5-20)15(19)11(16)7-22/h2-4,23H,1H3

InChIKey

LIEQSVXPMNTMOA-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(c1Nc1c(c(ccc1)Cl)C)C#N)Cl)C#N)Cl)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 42mg/kg (42mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.